tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate

C16H25N3O3S — CID 129052793

IUPACtert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)17-8-7-13-18-12(11-23-13)14(20)19-9-5-4-6-10-19/h11H,4-10H2,1-3H3,(H,17,21)
InChIKeyIJDIATIHZUZPIC-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate

tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate (PubChem CID 129052793) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate
PubChem CID129052793
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Nametert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)17-8-7-13-18-12(11-23-13)14(20)19-9-5-4-6-10-19/h11H,4-10H2,1-3H3,(H,17,21)
InChIKeyIJDIATIHZUZPIC-UHFFFAOYSA-N
XLogP2.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 91652392
tert-butyl N-[2-[4-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 24895318
tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052398
2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 174210352
tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122011316
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
2-[2-(2-methylpropoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373321
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylic acid
CID 19020701
2-[2-(1,4-oxazepane-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374918
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate (CID 129052793) is tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCCCC2)cs1.
What is the InChIKey of tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The InChIKey is IJDIATIHZUZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)17-8-7-13-18-12(11-23-13)14(20)19-9-5-4-6-10-19/h11H,4-10H2,1-3H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate has a molecular weight of 339.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 129052793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).